7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole

C67H46N6O — CID 174275456

IUPAC7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3cccc4nc(-c5ccccc5)oc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C=CC3c5ccccc5N(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)C43)cc21
InChIInChI=1S/C67H46N6O/c1-67(2)55-39-45(48-25-16-26-57-62(48)74-66(68-57)44-21-10-5-11-22-44)31-35-49(55)50-36-34-47(40-56(50)67)73-59-28-15-13-24-52(59)54-38-37-53-51-23-12-14-27-58(51)72(60(53)61(54)73)46-32-29-43(30-33-46)65-70-63(41-17-6-3-7-18-41)69-64(71-65)42-19-8-4-9-20-42/h3-40,53,60H,1-2H3
InChIKeyRYWOMLKKRJTSNW-UHFFFAOYSA-N
MW951.15 g/mol
LogP16.60
Rot. Bonds7

About 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole

7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 174275456) has the molecular formula C67H46N6O and a molecular weight of 951.15 g/mol. Its IUPAC name is 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID174275456
Molecular FormulaC67H46N6O
Molecular Weight951.15 g/mol
Exact Mass950.37
IUPAC Name7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3cccc4nc(-c5ccccc5)oc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C=CC3c5ccccc5N(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)C43)cc21
InChIInChI=1S/C67H46N6O/c1-67(2)55-39-45(48-25-16-26-57-62(48)74-66(68-57)44-21-10-5-11-22-44)31-35-49(55)50-36-34-47(40-56(50)67)73-59-28-15-13-24-52(59)54-38-37-53-51-23-12-14-27-58(51)72(60(53)61(54)73)46-32-29-43(30-33-46)65-70-63(41-17-6-3-7-18-41)69-64(71-65)42-19-8-4-9-20-42/h3-40,53,60H,1-2H3
InChIKeyRYWOMLKKRJTSNW-UHFFFAOYSA-N
XLogP16.60
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole with MolForge

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Related Compounds

2-[3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-5-phenylphenyl]-1,3-benzoxazole
CID 174273358
12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole
CID 168832454
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583062
12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764192
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764324

Frequently Asked Questions

What is the IUPAC name of 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole (CID 174275456) is 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole is CC1(C)c2cc(-c3cccc4nc(-c5ccccc5)oc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C=CC3c5ccccc5N(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)C43)cc21.
What is the InChIKey of 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is RYWOMLKKRJTSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N6O/c1-67(2)55-39-45(48-25-16-26-57-62(48)74-66(68-57)44-21-10-5-11-22-44)31-35-49(55)50-36-34-47(40-56(50)67)73-59-28-15-13-24-52(59)54-38-37-53-51-23-12-14-27-58(51)72(60(53)61(54)73)46-32-29-43(30-33-46)65-70-63(41-17-6-3-7-18-41)69-64(71-65)42-19-8-4-9-20-42/h3-40,53,60H,1-2H3.
What are the key properties of 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole?
7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 951.15 g/mol, XLogP of 16.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 174275456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).